smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCC1(c2ccccc2)CCCCC1	ZINC000001567707	342947811	/nfs/dbraw/zinc/94/78/11/342947811.db2.gz	QTZSJWWGPBHVRZ-UHFFFAOYSA-N	0	0	199.297	3.802	40	30		AHEBRN
CCCCC#CCC#Cc1ccccc1	ZINC000001569626	342948219	/nfs/dbraw/zinc/94/82/19/342948219.db2.gz	XJLIHHZYHAHLLS-UHFFFAOYSA-N	0	0	196.293	3.622	40	30		AHEBRN
CCC#CCC1(CC#CCC)C[C@H]1C	ZINC000001575192	171207411	/nfs/dbraw/zinc/20/74/11/171207411.db2.gz	CQUIYPZCIOTFCC-CYBMUJFWSA-N	0	0	188.314	3.620	40	30		AHEBRN
CCCCCCCCC(C)(C)O	ZINC000001577327	171162931	/nfs/dbraw/zinc/16/29/31/171162931.db2.gz	WTXBAYPZJKPZHX-UHFFFAOYSA-N	0	0	172.312	3.508	40	30		AHEBRN
C=Nc1ccc(Nc2ccccc2)cc1	ZINC000001593859	166226236	/nfs/dbraw/zinc/22/62/36/166226236.db2.gz	CTXMDBPVWIHSJW-UHFFFAOYSA-N	0	0	196.253	3.762	40	30		AHEBRN
C=CC1(C)C(C)=C(C)C(C)=C1C	ZINC000001596960	166160858	/nfs/dbraw/zinc/16/08/58/166160858.db2.gz	JIYLILRKCWRGSY-UHFFFAOYSA-N	0	0	162.276	3.865	40	30		AHEBRN
CCCCCCC[C@@H](O)CCCC	ZINC000001606042	342951713	/nfs/dbraw/zinc/95/17/13/342951713.db2.gz	AVERNHDYEFYHIV-LBPRGKRZSA-N	0	0	186.339	3.898	40	30		AHEBRN
CCCCCCCCC[C@H](O)CC	ZINC000001606045	342951526	/nfs/dbraw/zinc/95/15/26/342951526.db2.gz	OKDGZLITBCRLLJ-GFCCVEGCSA-N	0	0	186.339	3.898	40	30		AHEBRN
C=CCCCn1ccc2ccccc21	ZINC000001618490	166167918	/nfs/dbraw/zinc/16/79/18/166167918.db2.gz	MGVJHDIRKQFYRG-UHFFFAOYSA-N	0	0	185.270	3.608	40	30		AHEBRN
CCCC[C@](C=O)(C=C=C(C)C)CC	ZINC000001621010	342952653	/nfs/dbraw/zinc/95/26/53/342952653.db2.gz	DQEUSQNLDFHEBF-ZDUSSCGKSA-N	0	0	194.318	3.893	40	30		AHEBRN
C/C(=C/C(C)(C)C)C(=O)C(C)(C)C	ZINC000001646242	166048397	/nfs/dbraw/zinc/04/83/97/166048397.db2.gz	QGTFBRNFEGPKTI-HJWRWDBZSA-N	0	0	182.307	3.594	40	30		AHEBRN
C=CCOc1cc(C)c(C)cc1Cl	ZINC000001662576	166197234	/nfs/dbraw/zinc/19/72/34/166197234.db2.gz	JDVDTALUUZZMEP-UHFFFAOYSA-N	0	0	196.677	3.522	40	30		AHEBRN
C=CCCCCCCCCC(C)=O	ZINC000001664672	171163086	/nfs/dbraw/zinc/16/30/86/171163086.db2.gz	OPLPMLGBZCNBGS-UHFFFAOYSA-N	0	0	182.307	3.882	40	30		AHEBRN
C=C(C)c1cc2ccccc2cc1O	ZINC000001669143	166131516	/nfs/dbraw/zinc/13/15/16/166131516.db2.gz	KQTAHIWAXPBYBC-UHFFFAOYSA-N	0	0	184.238	3.579	40	30		AHEBRN
C/C=C/CCCCCCC	ZINC000001680049	171000340	/nfs/dbraw/zinc/00/03/40/171000340.db2.gz	YKNMBTZOEVIJCM-HWKANZROSA-N	0	0	140.270	3.923	40	30		AHEBRN
C=C(C)CCc1nccc2ccccc21	ZINC000001683654	166118031	/nfs/dbraw/zinc/11/80/31/166118031.db2.gz	ZIWGJEKDNXUBKV-UHFFFAOYSA-N	0	0	197.281	3.744	40	30		AHEBRN
C=CCCC(=C)c1ccccc1	ZINC000001685155	171207463	/nfs/dbraw/zinc/20/74/63/171207463.db2.gz	RXHRTEWULBWTBT-UHFFFAOYSA-N	0	0	158.244	3.666	40	30		AHEBRN
CCCCCCC[C@](C)(O)CC	ZINC000001685631	166850762	/nfs/dbraw/zinc/85/07/62/166850762.db2.gz	GWZUELOIAQOFPK-LLVKDONJSA-N	0	0	172.312	3.508	40	30		AHEBRN
CCCCCCCC[C@](C)(O)CC	ZINC000001685632	342958262	/nfs/dbraw/zinc/95/82/62/342958262.db2.gz	AVVIXYGTFQBADW-GFCCVEGCSA-N	0	0	186.339	3.898	40	30		AHEBRN
C=CC(=O)/C=C/CCCCCCC	ZINC000001698354	342960072	/nfs/dbraw/zinc/96/00/72/342960072.db2.gz	DUOLQRJSVONNHN-ZHACJKMWSA-N	0	0	180.291	3.658	40	30		AHEBRN
C=CCSc1ccc(Cl)cc1	ZINC000001704958	166198218	/nfs/dbraw/zinc/19/82/18/166198218.db2.gz	GUQRBCWKKOWSNU-UHFFFAOYSA-N	0	0	184.691	3.618	40	30		AHEBRN
C=CCSc1cccc(Cl)c1	ZINC000001704964	166198374	/nfs/dbraw/zinc/19/83/74/166198374.db2.gz	SZJVIYYSQZRURZ-UHFFFAOYSA-N	0	0	184.691	3.618	40	30		AHEBRN
C=CCSc1ccccc1Cl	ZINC000001704972	166198264	/nfs/dbraw/zinc/19/82/64/166198264.db2.gz	CCSHMLTWCWPDFH-UHFFFAOYSA-N	0	0	184.691	3.618	40	30		AHEBRN
CCCCC(CC)(CC)CC#N	ZINC000001707990	342961011	/nfs/dbraw/zinc/96/10/11/342961011.db2.gz	BFINUHNSPKSQSS-UHFFFAOYSA-N	0	0	167.296	3.897	40	30		AHEBRN
C=CCC(CC=C)(CC=C)C(=O)CC	ZINC000001717284	166164601	/nfs/dbraw/zinc/16/46/01/166164601.db2.gz	QSRPYHCVHVGBNY-UHFFFAOYSA-N	0	0	192.302	3.680	40	30		AHEBRN
C=CCC[C@H](C)C=C(C)C	ZINC000001720091	166169880	/nfs/dbraw/zinc/16/98/80/166169880.db2.gz	FYZHLRMYDRUDES-JTQLQIEISA-N	0	0	138.254	3.555	40	30		AHEBRN
C=C1CCCC(C)(C)[C@H]1/C=C/C(C)=O	ZINC000001850080	166145168	/nfs/dbraw/zinc/14/51/68/166145168.db2.gz	SFEOKXHPFMOVRM-GUOLPTJISA-N	0	0	192.302	3.514	40	30	endogenous,in-man	AHEBRN
C/C=C/CCCCCC	ZINC000002012729	171215216	/nfs/dbraw/zinc/21/52/16/171215216.db2.gz	IICQZTQZQSBHBY-HWKANZROSA-N	0	0	126.243	3.533	40	30		AHEBRN
CCCCCCCc1ccccc1O	ZINC000002012795	342966512	/nfs/dbraw/zinc/96/65/12/342966512.db2.gz	FIWYWGLEPWBBQU-UHFFFAOYSA-N	0	0	192.302	3.905	40	30		AHEBRN
CCCCCCCCC[C@@H](C)CO	ZINC000002015843	171003620	/nfs/dbraw/zinc/00/36/20/171003620.db2.gz	FGZXHVORLPLICA-GFCCVEGCSA-N	0	0	186.339	3.756	40	30		AHEBRN
CCCCCCCCC[C@H](C)CO	ZINC000002015844	171003809	/nfs/dbraw/zinc/00/38/09/171003809.db2.gz	FGZXHVORLPLICA-LBPRGKRZSA-N	0	0	186.339	3.756	40	30		AHEBRN
CCCCCCC[C@H](O)CCCC	ZINC000002023834	342967242	/nfs/dbraw/zinc/96/72/42/342967242.db2.gz	AVERNHDYEFYHIV-GFCCVEGCSA-N	0	0	186.339	3.898	40	30		AHEBRN
CCCCCCCCCCOC	ZINC000002029328	171003998	/nfs/dbraw/zinc/00/39/98/171003998.db2.gz	JPEWDCTZJFUITH-UHFFFAOYSA-N	0	0	172.312	3.774	40	30		AHEBRN
CCCC[C@@](C=O)(C=C=C(C)C)CC	ZINC000002037120	342968159	/nfs/dbraw/zinc/96/81/59/342968159.db2.gz	DQEUSQNLDFHEBF-CYBMUJFWSA-N	0	0	194.318	3.893	40	30		AHEBRN
CCCCCCCC[C@@](C)(O)CC	ZINC000002045863	342969359	/nfs/dbraw/zinc/96/93/59/342969359.db2.gz	AVVIXYGTFQBADW-LBPRGKRZSA-N	0	0	186.339	3.898	40	30		AHEBRN
CCCCCCC[C@@](C)(O)CC	ZINC000002045864	342969414	/nfs/dbraw/zinc/96/94/14/342969414.db2.gz	GWZUELOIAQOFPK-NSHDSACASA-N	0	0	172.312	3.508	40	30		AHEBRN
C=CCOCCCCCCCC	ZINC000002146760	166195858	/nfs/dbraw/zinc/19/58/58/166195858.db2.gz	IELYMBBIHQDONA-UHFFFAOYSA-N	0	0	170.296	3.550	40	30		AHEBRN
Cc1ccc(C)c(/N=C/c2ccco2)c1	ZINC000002163867	342970019	/nfs/dbraw/zinc/97/00/19/342970019.db2.gz	VNOILLHYDMKBCS-NTEUORMPSA-N	0	0	199.253	3.647	40	30		AHEBRN
CCCCCC#Cc1ccccc1	ZINC000002168570	166846389	/nfs/dbraw/zinc/84/63/89/166846389.db2.gz	MDKGOJZZRHBMQU-UHFFFAOYSA-N	0	0	172.271	3.618	40	30		AHEBRN
Cc1cccc(/N=C/c2ccco2)c1C	ZINC000002171104	168860426	/nfs/dbraw/zinc/86/04/26/168860426.db2.gz	WRLWGHDQPWEHCU-NTEUORMPSA-N	0	0	199.253	3.647	40	30		AHEBRN
C=C[C@H]1CC[C@H](C=C)C[C@@H]1C=C	ZINC000002242654	166220687	/nfs/dbraw/zinc/22/06/87/166220687.db2.gz	KTRQRAQRHBLCSQ-SRVKXCTJSA-N	0	0	162.276	3.577	40	30		AHEBRN
C=C(C)CC1CCCCC1	ZINC000002507859	166116859	/nfs/dbraw/zinc/11/68/59/166116859.db2.gz	NPOMKHQWAVPNRY-UHFFFAOYSA-N	0	0	138.254	3.533	40	30		AHEBRN
C=CCC[C@@H](C)C=C(C)C	ZINC000002516981	166169849	/nfs/dbraw/zinc/16/98/49/166169849.db2.gz	FYZHLRMYDRUDES-SNVBAGLBSA-N	0	0	138.254	3.555	40	30		AHEBRN
CC(=O)/C(C)=C(\C)[C@H](C)C(C)(C)C	ZINC000002559086	166232149	/nfs/dbraw/zinc/23/21/49/166232149.db2.gz	IXIYWQIFBRZMNR-DDXVTDLHSA-N	0	0	182.307	3.594	40	30		AHEBRN
CCCCCCCCC/C=C/CO	ZINC000002560461	171007543	/nfs/dbraw/zinc/00/75/43/171007543.db2.gz	MLRYPOCSLBIUHY-ZHACJKMWSA-N	0	0	184.323	3.676	40	30		AHEBRN
C=C(C)[C@@H](CC)CCCC	ZINC000002564092	171007465	/nfs/dbraw/zinc/00/74/65/171007465.db2.gz	ZNQRZLWSGCOUEI-JTQLQIEISA-N	0	0	140.270	3.779	40	30		AHEBRN
CCCC#CCCCCCC	ZINC000002564178	171007283	/nfs/dbraw/zinc/00/72/83/171007283.db2.gz	RUEKFLJTCZKAMH-UHFFFAOYSA-N	0	0	152.281	3.760	40	30		AHEBRN
CCCCCCc1ccc(C#N)cc1	ZINC000002569858	342977786	/nfs/dbraw/zinc/97/77/86/342977786.db2.gz	QLSILVVVEOHLOG-UHFFFAOYSA-N	0	0	187.286	3.681	40	30		AHEBRN
CCCCC#CCCCCC	ZINC000002579229	342978348	/nfs/dbraw/zinc/97/83/48/342978348.db2.gz	VRQLDBSWBBKOCR-UHFFFAOYSA-N	0	0	152.281	3.760	40	30		AHEBRN
CCCCCCCCCCC#CCO	ZINC000002579244	519979619	/nfs/dbraw/zinc/97/96/19/519979619.db2.gz	JOJRPLDFBJRAJH-UHFFFAOYSA-N	0	0	196.334	3.513	40	30		AHEBRN
CC#CCCCCCCCCCCO	ZINC000002579258	171156912	/nfs/dbraw/zinc/15/69/12/171156912.db2.gz	QBYUWRZJJAYBJR-UHFFFAOYSA-N	0	0	196.334	3.513	40	30		AHEBRN
c1ccc(N=C2CCCCC2)cc1	ZINC000003958271	351324229	/nfs/dbraw/zinc/32/42/29/351324229.db2.gz	RPFGCUFAJAQNLJ-UHFFFAOYSA-N	0	0	173.259	3.723	40	30		AHEBRN
C=C(C)[C@H]1CC[C@@H](C)O[C@H]1CC(C)C	ZINC000004024423	166130756	/nfs/dbraw/zinc/13/07/56/166130756.db2.gz	REJQPVBZMKPAAI-UPJWGTAASA-N	0	0	196.334	3.792	40	30		AHEBRN
C=C(C)[C@H]1CC[C@H](C)O[C@H]1CC(C)C	ZINC000004024424	166130483	/nfs/dbraw/zinc/13/04/83/166130483.db2.gz	REJQPVBZMKPAAI-XQQFMLRXSA-N	0	0	196.334	3.792	40	30		AHEBRN
C=C1[C@@H]2C[C@H](C[C@@H]1CSC)C2(C)C	ZINC000004800742	166151662	/nfs/dbraw/zinc/15/16/62/166151662.db2.gz	HHABNHKVKXGLDM-VWYCJHECSA-N	0	0	196.359	3.588	40	30		AHEBRN
C=C1[C@@H]2C[C@H](C[C@H]1CSC)C2(C)C	ZINC000004800743	136407437	/nfs/dbraw/zinc/40/74/37/136407437.db2.gz	HHABNHKVKXGLDM-DCAQKATOSA-N	0	0	196.359	3.588	40	30		AHEBRN
C/C=C\[C@@H](C)[C@@H](C#N)c1ccccc1	ZINC000005119379	171015784	/nfs/dbraw/zinc/01/57/84/171015784.db2.gz	PGVPYIBDZNGVLJ-JKEYLAGBSA-N	0	0	185.270	3.506	40	30		AHEBRN
C/C=C\[C@H](C)[C@@H](C#N)c1ccccc1	ZINC000005119380	166069964	/nfs/dbraw/zinc/06/99/64/166069964.db2.gz	PGVPYIBDZNGVLJ-NQUYYZCGSA-N	0	0	185.270	3.506	40	30		AHEBRN
O=C1C=CC2(CC1)CCCCCCC2	ZINC000005133729	169366484	/nfs/dbraw/zinc/36/64/84/169366484.db2.gz	NPVAAOCDILSFAY-UHFFFAOYSA-N	0	0	192.302	3.636	40	30		AHEBRN
CC(C)=CCCC1=CC[C@H](C=O)CC1	ZINC000005158700	574412441	/nfs/dbraw/zinc/41/24/41/574412441.db2.gz	MQBIZQLCHSZBOI-ZDUSSCGKSA-N	0	0	192.302	3.658	40	30	endogenous,in-man	AHEBRN
CC(C)=CCCC1=CC[C@@H](C=O)CC1	ZINC000005158708	574412435	/nfs/dbraw/zinc/41/24/35/574412435.db2.gz	MQBIZQLCHSZBOI-CYBMUJFWSA-N	0	0	192.302	3.658	40	30	endogenous,in-man	AHEBRN
C/C=C/[C@@H](C)[C@@H](C#N)c1ccccc1	ZINC000005412882	166065166	/nfs/dbraw/zinc/06/51/66/166065166.db2.gz	PGVPYIBDZNGVLJ-OMCWZWAOSA-N	0	0	185.270	3.506	40	30		AHEBRN
C/C=C/[C@H](C)[C@@H](C#N)c1ccccc1	ZINC000005412888	166064994	/nfs/dbraw/zinc/06/49/94/166064994.db2.gz	PGVPYIBDZNGVLJ-LXDSGBGESA-N	0	0	185.270	3.506	40	30		AHEBRN
Cc1ccccc1/C=N/c1ccccc1	ZINC000005420412	343002524	/nfs/dbraw/zinc/00/25/24/343002524.db2.gz	UPWKYMGPPVKLTD-RVDMUPIBSA-N	0	0	195.265	3.746	40	30		AHEBRN
O=C1C=C2C[C@@H](C1)CCCCCCC2	ZINC000005566856	169366333	/nfs/dbraw/zinc/36/63/33/169366333.db2.gz	RXVUBPIPKJMTSR-LBPRGKRZSA-N	0	0	192.302	3.636	40	30		AHEBRN
C/C=C\C(=O)C1=C(C)CCCC1(C)C	ZINC000005829535	171018032	/nfs/dbraw/zinc/01/80/32/171018032.db2.gz	BGTBFNDXYDYBEY-ALCCZGGFSA-N	0	0	192.302	3.658	40	30		AHEBRN
C/C=C\C(=O)[C@@H]1C(C)=CCCC1(C)C	ZINC000005829553	166068221	/nfs/dbraw/zinc/06/82/21/166068221.db2.gz	CRIGTVCBMUKRSL-HWPRWLFBSA-N	0	0	192.302	3.514	40	30	endogenous,in-man	AHEBRN
C/C=C\C(=O)[C@H]1C(C)=CCCC1(C)C	ZINC000005829557	166068239	/nfs/dbraw/zinc/06/82/39/166068239.db2.gz	CRIGTVCBMUKRSL-SMYYYNMVSA-N	0	0	192.302	3.514	40	30	endogenous,in-man	AHEBRN
CC(=O)/C=C/[C@@H]1[C@H](C)CCCC1(C)C	ZINC000006030810	171018819	/nfs/dbraw/zinc/01/88/19/171018819.db2.gz	YJRODKCOICMRBO-IOJZVYEBSA-N	0	0	194.318	3.594	40	30		AHEBRN
CCc1ccc(/N=C/c2ccco2)cc1	ZINC000008085147	343017622	/nfs/dbraw/zinc/01/76/22/343017622.db2.gz	IZDCUCZSJPJYKA-GXDHUFHOSA-N	0	0	199.253	3.593	40	30		AHEBRN
C=C(C)[C@H]1CC[C@H](C)O[C@@H]1CC(C)C	ZINC000012654325	166129756	/nfs/dbraw/zinc/12/97/56/166129756.db2.gz	REJQPVBZMKPAAI-YNEHKIRRSA-N	0	0	196.334	3.792	40	30		AHEBRN
C=C(C)[C@H]1CC[C@@H](C)O[C@@H]1CC(C)C	ZINC000012654329	166129121	/nfs/dbraw/zinc/12/91/21/166129121.db2.gz	REJQPVBZMKPAAI-JHJVBQTASA-N	0	0	196.334	3.792	40	30		AHEBRN
CC(C)=CCC/C(C)=C\C=C\C(C)=O	ZINC000014556357	351374094	/nfs/dbraw/zinc/37/40/94/351374094.db2.gz	JXJIQCXXJGRKRJ-CQJQESKGSA-N	0	0	192.302	3.824	40	30		AHEBRN
CC(=O)/C=C/[C@@H]1[C@@H](C)CCCC1(C)C	ZINC000014587983	325597595	/nfs/dbraw/zinc/59/75/95/325597595.db2.gz	YJRODKCOICMRBO-PXYQHZOESA-N	0	0	194.318	3.594	40	30		AHEBRN
C=CCCCCSCCCC	ZINC000016639390	171206869	/nfs/dbraw/zinc/20/68/69/171206869.db2.gz	MTYZSRYSCGCWNM-UHFFFAOYSA-N	0	0	172.337	3.876	40	30		AHEBRN
Cc1ccc2nc(C)cc(N=[N+]=[N-])c2c1	ZINC000016942233	343045071	/nfs/dbraw/zinc/04/50/71/343045071.db2.gz	JYTHVHVWHWVVNF-UHFFFAOYSA-N	0	0	198.229	3.793	40	30		AHEBRN
C/C(=C\C(C)(C)C)C(=O)C(C)(C)C	ZINC000016970942	166048161	/nfs/dbraw/zinc/04/81/61/166048161.db2.gz	QGTFBRNFEGPKTI-CMDGGOBGSA-N	0	0	182.307	3.594	40	30		AHEBRN
CCCC/N=C(C)\C(C)=N/CCCC	ZINC000017157285	343046068	/nfs/dbraw/zinc/04/60/68/343046068.db2.gz	OODRHEYRJSRENL-XSYHWHKQSA-N	0	0	196.338	3.508	40	30		AHEBRN
Cc1ccc(/N=C\c2ccccc2)cc1	ZINC000018084575	343047951	/nfs/dbraw/zinc/04/79/51/343047951.db2.gz	MSFVFFZPHJPOHP-PTNGSMBKSA-N	0	0	195.265	3.746	40	30		AHEBRN
Fc1ccc(/C=N/c2ccccc2)cc1	ZINC000018181226	169081841	/nfs/dbraw/zinc/08/18/41/169081841.db2.gz	MPRONVWLCPZXOB-XNTDXEJSSA-N	0	0	199.228	3.576	40	30		AHEBRN
CS/C(=C\C=C(C)C)N=C(C)C	ZINC000019418639	171168184	/nfs/dbraw/zinc/16/81/84/171168184.db2.gz	VCBULQSCXFBVPD-YFHOEESVSA-N	0	0	183.320	3.638	40	30		AHEBRN
N#Cc1ccc(C2CCCCC2)cc1	ZINC000032158113	169119475	/nfs/dbraw/zinc/11/94/75/169119475.db2.gz	OFYAEKMIQIIUAT-UHFFFAOYSA-N	0	0	185.270	3.606	40	30		AHEBRN
C#CCCCCCCCCCCCO	ZINC000034108539	166015952	/nfs/dbraw/zinc/01/59/52/166015952.db2.gz	XDKDILSPAPQFEA-UHFFFAOYSA-N	0	0	196.334	3.513	40	30		AHEBRN
CC(C)(C#N)CCCc1ccccc1	ZINC000034455178	166337962	/nfs/dbraw/zinc/33/79/62/166337962.db2.gz	XKDWPILUTHEYHY-UHFFFAOYSA-N	0	0	187.286	3.559	40	30		AHEBRN
C=C(C)c1ccc(OC(C)(C)C)cc1	ZINC000038363464	166131323	/nfs/dbraw/zinc/13/13/23/166131323.db2.gz	LQDGDDQWVWZDCS-UHFFFAOYSA-N	0	0	190.286	3.897	40	30		AHEBRN
CC(C)=CCC/C(C)=C\CS	ZINC000038613534	171069946	/nfs/dbraw/zinc/06/99/46/171069946.db2.gz	FACAUSJJVBMWLV-YFHOEESVSA-N	0	0	170.321	3.609	40	30	endogenous,in-man	AHEBRN
CC(=O)/C(C)=C(\C)[C@@H](C)C(C)(C)C	ZINC000038635151	166229814	/nfs/dbraw/zinc/22/98/14/166229814.db2.gz	IXIYWQIFBRZMNR-AAXQSMANSA-N	0	0	182.307	3.594	40	30		AHEBRN
CC(C)c1cc(C#N)cc(C(C)C)c1	ZINC000038950356	343192335	/nfs/dbraw/zinc/19/23/35/343192335.db2.gz	BICQUOVRCALPDR-UHFFFAOYSA-N	0	0	187.286	3.805	40	30		AHEBRN
C=C(C)Cc1cccc(OC(C)C)c1	ZINC000043502475	166127785	/nfs/dbraw/zinc/12/77/85/166127785.db2.gz	HHLGBBTXFJATMF-UHFFFAOYSA-N	0	0	190.286	3.592	40	30		AHEBRN
C=CCc1ccc(OCCCC)cc1	ZINC000043505090	166208355	/nfs/dbraw/zinc/20/83/55/166208355.db2.gz	XMIWGESQTKNQRA-UHFFFAOYSA-N	0	0	190.286	3.594	40	30		AHEBRN
C=CCc1ccc2cc(OC)ccc2c1	ZINC000043505139	166208189	/nfs/dbraw/zinc/20/81/89/166208189.db2.gz	DVQOTDYKJNEHNJ-UHFFFAOYSA-N	0	0	198.265	3.577	40	30		AHEBRN
CCCCCC[C@H]1CC(=O)C=C(C)C1	ZINC000044563992	343267682	/nfs/dbraw/zinc/26/76/82/343267682.db2.gz	ZIUUAIVSQOVUNK-GFCCVEGCSA-N	0	0	194.318	3.882	40	30		AHEBRN
CCCCCC[C@@H]1CC(=O)C=C(C)C1	ZINC000044563993	343267705	/nfs/dbraw/zinc/26/77/05/343267705.db2.gz	ZIUUAIVSQOVUNK-LBPRGKRZSA-N	0	0	194.318	3.882	40	30		AHEBRN
C=C[C@H]1CC[C@H](C=C)C[C@H]1C=C	ZINC000049952227	166220931	/nfs/dbraw/zinc/22/09/31/166220931.db2.gz	KTRQRAQRHBLCSQ-SDDRHHMPSA-N	0	0	162.276	3.577	40	30		AHEBRN
C=C[C@H]1CC[C@@H](C=C)[C@H](C=C)C1	ZINC000049952228	166220835	/nfs/dbraw/zinc/22/08/35/166220835.db2.gz	KTRQRAQRHBLCSQ-QJPTWQEYSA-N	0	0	162.276	3.577	40	30		AHEBRN
CCCCc1ccc(CCS)cc1	ZINC000057937457	171182145	/nfs/dbraw/zinc/18/21/45/171182145.db2.gz	OTPXVZSNNDVUMD-UHFFFAOYSA-N	0	0	194.343	3.502	40	30		AHEBRN
CCCCCCCCC[C@@H]1CO1	ZINC000059436124	371636707	/nfs/dbraw/zinc/63/67/07/371636707.db2.gz	LXVAZSIZYQIZCR-LLVKDONJSA-N	0	0	170.296	3.526	40	30		AHEBRN
C=C(C)CCCCc1ccccc1	ZINC000060256202	166117482	/nfs/dbraw/zinc/11/74/82/166117482.db2.gz	GENZPCKJOAWFLP-UHFFFAOYSA-N	0	0	174.287	3.976	40	30		AHEBRN
CC(C)(C)c1ccc(Cl)c(C#N)c1	ZINC000067792737	166384903	/nfs/dbraw/zinc/38/49/03/166384903.db2.gz	SZOZKILEXPVNTF-UHFFFAOYSA-N	0	0	193.677	3.509	40	30		AHEBRN
CCCCc1ccc(Cl)c(C#N)c1	ZINC000067794431	171062540	/nfs/dbraw/zinc/06/25/40/171062540.db2.gz	FJLPYXPHTDXLFI-UHFFFAOYSA-N	0	0	193.677	3.554	40	30		AHEBRN
CC(C)c1cccc(C(C)C)c1C#N	ZINC000067802568	171063070	/nfs/dbraw/zinc/06/30/70/171063070.db2.gz	UNXQDKWXSNOIIP-UHFFFAOYSA-N	0	0	187.286	3.805	40	30		AHEBRN
C=C1[C@H]2C=CC=C[C@@H]1c1ccccc12	ZINC000071785500	166151337	/nfs/dbraw/zinc/15/13/37/166151337.db2.gz	KMFMGAXQPKNXGP-TXEJJXNPSA-N	0	0	180.250	3.550	40	30		AHEBRN
C=CCCCCc1ccccc1	ZINC000071792242	166167268	/nfs/dbraw/zinc/16/72/68/166167268.db2.gz	UWAVXORKDISRCD-UHFFFAOYSA-N	0	0	160.260	3.585	40	30		AHEBRN
C/C=C\CCCCCC	ZINC000079712216	171121359	/nfs/dbraw/zinc/12/13/59/171121359.db2.gz	IICQZTQZQSBHBY-HYXAFXHYSA-N	0	0	126.243	3.533	40	30		AHEBRN
CC(C)(C)c1ccc(C#N)c(Cl)c1	ZINC000082048812	166384848	/nfs/dbraw/zinc/38/48/48/166384848.db2.gz	KRHLSNRCNAJQIM-UHFFFAOYSA-N	0	0	193.677	3.509	40	30		AHEBRN
CCCCCCC/C=C/CC(C)=O	ZINC000082053938	343595150	/nfs/dbraw/zinc/59/51/50/343595150.db2.gz	SNSAFZXASVXYNM-MDZDMXLPSA-N	0	0	182.307	3.882	40	30		AHEBRN
C#Cc1cccc2c3ccccc3oc21	ZINC000085388959	171222997	/nfs/dbraw/zinc/22/29/97/171222997.db2.gz	MKQXGLDGIJAJHM-UHFFFAOYSA-N	0	0	192.217	3.567	40	30		AHEBRN
C#Cc1ccc2oc3ccccc3c2c1	ZINC000085388964	166042713	/nfs/dbraw/zinc/04/27/13/166042713.db2.gz	UYUZOCULCARWEP-UHFFFAOYSA-N	0	0	192.217	3.567	40	30		AHEBRN
C#Cc1sccc1CCCCCC	ZINC000087489325	166044006	/nfs/dbraw/zinc/04/40/06/166044006.db2.gz	JRIHDMOFTYJKTG-UHFFFAOYSA-N	0	0	192.327	3.852	40	30		AHEBRN
SCCCCCCC1=CCC=C1	ZINC000088466437	171133212	/nfs/dbraw/zinc/13/32/12/171133212.db2.gz	GOONYHXHCXUVMC-UHFFFAOYSA-N	0	0	182.332	3.753	40	30		AHEBRN
C=C(C)[C@H](CC)CCCC	ZINC000091365480	166129146	/nfs/dbraw/zinc/12/91/46/166129146.db2.gz	ZNQRZLWSGCOUEI-SNVBAGLBSA-N	0	0	140.270	3.779	40	30		AHEBRN
C=C(C)[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C	ZINC000095611670	166128504	/nfs/dbraw/zinc/12/85/04/166128504.db2.gz	KOSYOLDYJMEEAT-OUAUKWLOSA-N	0	0	164.292	3.635	40	30		AHEBRN
C=C(C)[C@H]1[C@@H]2CC[C@@H](C2)C1(C)C	ZINC000095611671	166132131	/nfs/dbraw/zinc/13/21/31/166132131.db2.gz	KOSYOLDYJMEEAT-VWYCJHECSA-N	0	0	164.292	3.635	40	30		AHEBRN
C=CCc1ccc(Cl)c(CC)c1	ZINC000095631358	166207074	/nfs/dbraw/zinc/20/70/74/166207074.db2.gz	ZRGAADQQPDHSGT-UHFFFAOYSA-N	0	0	180.678	3.631	40	30		AHEBRN
C=CCc1ccccc1OCCCC	ZINC000095730406	166208843	/nfs/dbraw/zinc/20/88/43/166208843.db2.gz	VIWFIIRXLSASOA-UHFFFAOYSA-N	0	0	190.286	3.594	40	30		AHEBRN
C=CCc1cccc(OCCCC)c1	ZINC000095730408	166208324	/nfs/dbraw/zinc/20/83/24/166208324.db2.gz	SFOVRQDEFYNDPM-UHFFFAOYSA-N	0	0	190.286	3.594	40	30		AHEBRN
C=CCc1ccc(OCCC)cc1C	ZINC000095730458	166208215	/nfs/dbraw/zinc/20/82/15/166208215.db2.gz	XJPYJJFXULOCFT-UHFFFAOYSA-N	0	0	190.286	3.512	40	30		AHEBRN
C=CCc1ccc(SCCC)cc1	ZINC000095731210	166208465	/nfs/dbraw/zinc/20/84/65/166208465.db2.gz	MGSHJCVBPYJIDE-UHFFFAOYSA-N	0	0	192.327	3.917	40	30		AHEBRN
C=CCc1cccc(SCCC)c1	ZINC000095731213	166208148	/nfs/dbraw/zinc/20/81/48/166208148.db2.gz	WFISXCZWTIFNHE-UHFFFAOYSA-N	0	0	192.327	3.917	40	30		AHEBRN
C=CCc1ccccc1SCCC	ZINC000095731216	166208394	/nfs/dbraw/zinc/20/83/94/166208394.db2.gz	GVCVNBNDWFFCIZ-UHFFFAOYSA-N	0	0	192.327	3.917	40	30		AHEBRN
C=CCc1ccc(OCCC)c(C)c1	ZINC000095732176	166208483	/nfs/dbraw/zinc/20/84/83/166208483.db2.gz	OYUDQHQRCWDTJB-UHFFFAOYSA-N	0	0	190.286	3.512	40	30		AHEBRN
C=CCc1ccc(C)c(OCCC)c1	ZINC000095732218	166207120	/nfs/dbraw/zinc/20/71/20/166207120.db2.gz	XZIKZMICPHKPCE-UHFFFAOYSA-N	0	0	190.286	3.512	40	30		AHEBRN
C=CCc1cc(C)ccc1OCCC	ZINC000095732230	166206501	/nfs/dbraw/zinc/20/65/01/166206501.db2.gz	ZMFIKVYJALXUOP-UHFFFAOYSA-N	0	0	190.286	3.512	40	30		AHEBRN
C=CCSc1ccc(CC)cc1	ZINC000095733070	166198996	/nfs/dbraw/zinc/19/89/96/166198996.db2.gz	MDPOYHRHUMSULN-UHFFFAOYSA-N	0	0	178.300	3.527	40	30		AHEBRN
C=CCSc1cc(Cl)ccc1C	ZINC000095733093	166198419	/nfs/dbraw/zinc/19/84/19/166198419.db2.gz	KQKOXTNRCBQKQS-UHFFFAOYSA-N	0	0	198.718	3.927	40	30		AHEBRN
C=CCSc1ccc(C)c(Cl)c1	ZINC000095733096	166198360	/nfs/dbraw/zinc/19/83/60/166198360.db2.gz	VCVJKDNKAVAHNF-UHFFFAOYSA-N	0	0	198.718	3.927	40	30		AHEBRN
C=CCSc1cccc(SC)c1	ZINC000095733107	166199190	/nfs/dbraw/zinc/19/91/90/166199190.db2.gz	HCMOBTHDZXLKBP-UHFFFAOYSA-N	0	0	196.340	3.687	40	30		AHEBRN
C=CCSc1ccc(SC)cc1	ZINC000095733110	166199126	/nfs/dbraw/zinc/19/91/26/166199126.db2.gz	RCKQSBAJSQCWLI-UHFFFAOYSA-N	0	0	196.340	3.687	40	30		AHEBRN
C=CCSc1cccc(Cl)c1C	ZINC000095733114	166198364	/nfs/dbraw/zinc/19/83/64/166198364.db2.gz	OZVRMRKLLGTDFQ-UHFFFAOYSA-N	0	0	198.718	3.927	40	30		AHEBRN
C=CCSc1cccc(C)c1C	ZINC000095733121	166199043	/nfs/dbraw/zinc/19/90/43/166199043.db2.gz	OTKFTPDNHCFMGD-UHFFFAOYSA-N	0	0	178.300	3.582	40	30		AHEBRN
C=CCSc1cc(C)ccc1C	ZINC000095733124	166198434	/nfs/dbraw/zinc/19/84/34/166198434.db2.gz	GFRJBGNNSQTSON-UHFFFAOYSA-N	0	0	178.300	3.582	40	30		AHEBRN
C=CCSc1ccc(Cl)cc1C	ZINC000095733129	166198955	/nfs/dbraw/zinc/19/89/55/166198955.db2.gz	KQSBDGPSJNOHBY-UHFFFAOYSA-N	0	0	198.718	3.927	40	30		AHEBRN
C=CCSc1ccc(Cl)c(C)c1	ZINC000095733136	166198256	/nfs/dbraw/zinc/19/82/56/166198256.db2.gz	KRCKRFSAEJHWQH-UHFFFAOYSA-N	0	0	198.718	3.927	40	30		AHEBRN
C=CCSc1ccc(CCC)cc1	ZINC000095738579	166198438	/nfs/dbraw/zinc/19/84/38/166198438.db2.gz	CEBRTIHZPOOBCC-UHFFFAOYSA-N	0	0	192.327	3.917	40	30		AHEBRN
CCCCCCc1csc(C#N)c1	ZINC000095830628	166860711	/nfs/dbraw/zinc/86/07/11/166860711.db2.gz	LFLOKABSZNAYLC-UHFFFAOYSA-N	0	0	193.315	3.743	40	30		AHEBRN
C1#CCCCCCC#CCCCC1	ZINC000095862990	166072858	/nfs/dbraw/zinc/07/28/58/166072858.db2.gz	JJCWLXCBUFGPRY-UHFFFAOYSA-N	0	0	174.287	3.518	40	30		AHEBRN
C=C(C)CCCC(C)(C)C	ZINC000095884140	166116207	/nfs/dbraw/zinc/11/62/07/166116207.db2.gz	IFCGIPCIRFURCI-UHFFFAOYSA-N	0	0	140.270	3.779	40	30		AHEBRN
C=C(C)Cc1cccc(C(C)C)c1	ZINC000095902278	166127481	/nfs/dbraw/zinc/12/74/81/166127481.db2.gz	RHAQLUQPKXKBEI-UHFFFAOYSA-N	0	0	174.287	3.929	40	30		AHEBRN
C=CCc1cccc(C(C)(C)C)c1	ZINC000095902338	166208178	/nfs/dbraw/zinc/20/81/78/166208178.db2.gz	NNYGOLFBIIJVPF-UHFFFAOYSA-N	0	0	174.287	3.713	40	30		AHEBRN
C=CCc1cc(C)c(Cl)c(C)c1	ZINC000095902340	166206994	/nfs/dbraw/zinc/20/69/94/166206994.db2.gz	NYYMLXVMTJQUDU-UHFFFAOYSA-N	0	0	180.678	3.685	40	30		AHEBRN
C=CCc1ccc(F)c2ccccc12	ZINC000095902365	166207040	/nfs/dbraw/zinc/20/70/40/166207040.db2.gz	LSSYOVQHZVLIGL-UHFFFAOYSA-N	0	0	186.229	3.707	40	30		AHEBRN
C=CCc1ccc(CC(C)C)cc1	ZINC000095902372	166206968	/nfs/dbraw/zinc/20/69/68/166206968.db2.gz	BAWLQZUKVFKZSW-UHFFFAOYSA-N	0	0	174.287	3.614	40	30		AHEBRN
C=CCc1cccc(C(C)C)c1	ZINC000095902374	166208787	/nfs/dbraw/zinc/20/87/87/166208787.db2.gz	YYRZFHFLXBUOBY-UHFFFAOYSA-N	0	0	160.260	3.539	40	30		AHEBRN
C=C1CCCC(C)(C)[C@@H]1/C=C/C(C)=O	ZINC000096068418	166143461	/nfs/dbraw/zinc/14/34/61/166143461.db2.gz	SFEOKXHPFMOVRM-ABZNLYFFSA-N	0	0	192.302	3.514	40	30	endogenous,in-man	AHEBRN
C=C(Cl)CCCC(C)(C)C	ZINC000096543333	166137403	/nfs/dbraw/zinc/13/74/03/166137403.db2.gz	JHVINVVPYBEENS-UHFFFAOYSA-N	0	0	160.688	3.955	40	30		AHEBRN
C(#CC1=CCCCC1)C1=CCCCC1	ZINC000098090980	166043801	/nfs/dbraw/zinc/04/38/01/166043801.db2.gz	PFMJNJIHHZLIFQ-UHFFFAOYSA-N	0	0	186.298	3.991	40	30		AHEBRN
CCCCCCCCC/C=C\CO	ZINC000100022432	171143360	/nfs/dbraw/zinc/14/33/60/171143360.db2.gz	MLRYPOCSLBIUHY-KHPPLWFESA-N	0	0	184.323	3.676	40	30		AHEBRN
CC/C=C\CCCCCC	ZINC000100072181	343710422	/nfs/dbraw/zinc/71/04/22/343710422.db2.gz	GVRWIAHBVAYKIZ-ALCCZGGFSA-N	0	0	140.270	3.923	40	30		AHEBRN
Fc1ccc(/C=N\c2ccccc2)cc1	ZINC000100083049	169081372	/nfs/dbraw/zinc/08/13/72/169081372.db2.gz	MPRONVWLCPZXOB-GDNBJRDFSA-N	0	0	199.228	3.576	40	30		AHEBRN
Cc1cccc(/N=C/c2ccccc2)c1	ZINC000100145251	343711750	/nfs/dbraw/zinc/71/17/50/343711750.db2.gz	RAMVBCXRKUNVQT-RVDMUPIBSA-N	0	0	195.265	3.746	40	30		AHEBRN
CC/C=C/CCCCCC	ZINC000100173958	171144179	/nfs/dbraw/zinc/14/41/79/171144179.db2.gz	GVRWIAHBVAYKIZ-FNORWQNLSA-N	0	0	140.270	3.923	40	30		AHEBRN
Cc1ccccc1/N=C\c1ccccc1	ZINC000104115957	343728936	/nfs/dbraw/zinc/72/89/36/343728936.db2.gz	PUUAIRXOPHLROM-PTNGSMBKSA-N	0	0	195.265	3.746	40	30		AHEBRN
CCC#CCC1(CC#CCC)C[C@@H]1C	ZINC000104216022	171205449	/nfs/dbraw/zinc/20/54/49/171205449.db2.gz	CQUIYPZCIOTFCC-ZDUSSCGKSA-N	0	0	188.314	3.620	40	30		AHEBRN
CCCC/N=C(C)/C(C)=N\CCCC	ZINC000104251507	486918312	/nfs/dbraw/zinc/91/83/12/486918312.db2.gz	OODRHEYRJSRENL-HEEUSZRZSA-N	0	0	196.338	3.508	40	30		AHEBRN
CCCC/N=C(C)/C(C)=N/CCCC	ZINC000104251513	486918225	/nfs/dbraw/zinc/91/82/25/486918225.db2.gz	OODRHEYRJSRENL-PHEQNACWSA-N	0	0	196.338	3.508	40	30		AHEBRN
C=CC(=O)/C=C\CCCCCCC	ZINC000104394104	190613197	/nfs/dbraw/zinc/61/31/97/190613197.db2.gz	DUOLQRJSVONNHN-KHPPLWFESA-N	0	0	180.291	3.658	40	30		AHEBRN
C=C[C@H]1C[C@@H](C=C)CC[C@H]1C=C	ZINC000105101205	166221162	/nfs/dbraw/zinc/22/11/62/166221162.db2.gz	KTRQRAQRHBLCSQ-TUAOUCFPSA-N	0	0	162.276	3.577	40	30		AHEBRN
CCCCCCC[C@H](O)CC(C)C	ZINC000111749594	537964904	/nfs/dbraw/zinc/96/49/04/537964904.db2.gz	VNMFTZUIEPELBZ-LBPRGKRZSA-N	0	0	186.339	3.754	40	30		AHEBRN
CCCCCCC[C@@H](O)CC(C)C	ZINC000111749596	537964679	/nfs/dbraw/zinc/96/46/79/537964679.db2.gz	VNMFTZUIEPELBZ-GFCCVEGCSA-N	0	0	186.339	3.754	40	30		AHEBRN
CC(=O)/C(C)=C(/C)[C@H](C)C(C)(C)C	ZINC000111893160	166231076	/nfs/dbraw/zinc/23/10/76/166231076.db2.gz	IXIYWQIFBRZMNR-QROTZFDESA-N	0	0	182.307	3.594	40	30		AHEBRN
CC(=O)/C(C)=C(/C)[C@@H](C)C(C)(C)C	ZINC000111893162	166230832	/nfs/dbraw/zinc/23/08/32/166230832.db2.gz	IXIYWQIFBRZMNR-HSTULFTRSA-N	0	0	182.307	3.594	40	30		AHEBRN
CC(C)(C#N)C/C=C/c1ccccc1	ZINC000116879510	343770942	/nfs/dbraw/zinc/77/09/42/343770942.db2.gz	UGKCMKSAGGRYGN-RMKNXTFCSA-N	0	0	185.270	3.640	40	30		AHEBRN
CC(C)(C#N)CC1CCCCC1	ZINC000118909686	343777446	/nfs/dbraw/zinc/77/74/46/343777446.db2.gz	IKXOKMAREMKINC-UHFFFAOYSA-N	0	0	165.280	3.507	40	30		AHEBRN
C(#CC1=CCCCC1)c1ccccc1	ZINC000136708085	166044837	/nfs/dbraw/zinc/04/48/37/166044837.db2.gz	FEKPXSPSTYPWLB-UHFFFAOYSA-N	0	0	182.266	3.539	40	30		AHEBRN
C=C1c2ccccc2CCC1(C)C	ZINC000138569406	537991848	/nfs/dbraw/zinc/99/18/48/537991848.db2.gz	PQQDFTSLEZUIQD-UHFFFAOYSA-N	0	0	172.271	3.672	40	30		AHEBRN
C=C(C)CCC[Si](C)(C)C	ZINC000199051624	166116310	/nfs/dbraw/zinc/11/63/10/166116310.db2.gz	LZQKTFNLQPFYTH-UHFFFAOYSA-N	0	0	156.345	3.681	40	30		AHEBRN
C=C[C@H]1CC[C@H](CCC)CC1	ZINC000250221138	519300603	/nfs/dbraw/zinc/30/06/03/519300603.db2.gz	WQLMITAVFBXRKU-XYPYZODXSA-N	0	0	152.281	3.779	40	30		AHEBRN
CCCCCCC[C@@H]1CCCC1=NO	ZINC000255004151	371737505	/nfs/dbraw/zinc/73/75/05/371737505.db2.gz	QKTMJYBDXVBHRN-LLVKDONJSA-N	0	0	197.322	3.977	40	30		AHEBRN
CCCCCCC[C@H]1CCCC1=NO	ZINC000255004152	371737768	/nfs/dbraw/zinc/73/77/68/371737768.db2.gz	QKTMJYBDXVBHRN-NSHDSACASA-N	0	0	197.322	3.977	40	30		AHEBRN
Cc1cccc(N=Cc2ccccc2)c1	ZINC000256081511	168867355	/nfs/dbraw/zinc/86/73/55/168867355.db2.gz	RAMVBCXRKUNVQT-UHFFFAOYSA-N	0	0	195.265	3.746	40	30		AHEBRN
C#CC(C)(C)Cc1cccc(Cl)c1	ZINC000585142445	346754110	/nfs/dbraw/zinc/75/41/10/346754110.db2.gz	GEXRSOQPJKAKIV-UHFFFAOYSA-N	0	0	192.689	3.542	40	30		AHEBRN
C#CC(C)(C)C/C=C/c1ccccc1	ZINC000585142582	346754322	/nfs/dbraw/zinc/75/43/22/346754322.db2.gz	LVFKBJGXTAELOL-DHZHZOJOSA-N	0	0	184.282	3.749	40	30		AHEBRN
C#CC(C)(C)Cc1ccccc1Cl	ZINC000585142616	346754342	/nfs/dbraw/zinc/75/43/42/346754342.db2.gz	OYHMYXHJJPAIAE-UHFFFAOYSA-N	0	0	192.689	3.542	40	30		AHEBRN
C#CC(C)(C)Cc1ccc(Cl)cc1	ZINC000585142668	346754136	/nfs/dbraw/zinc/75/41/36/346754136.db2.gz	UZHBXFOKAQIGOH-UHFFFAOYSA-N	0	0	192.689	3.542	40	30		AHEBRN
C#CC(C)(C)CCCc1ccccc1	ZINC000585143215	371844609	/nfs/dbraw/zinc/84/46/09/371844609.db2.gz	JMSLIHAHQBBIOW-UHFFFAOYSA-N	0	0	186.298	3.669	40	30		AHEBRN
C#CC(C)(C)CC1CCCCC1	ZINC000585143281	346755843	/nfs/dbraw/zinc/75/58/43/346755843.db2.gz	SUKNUYHINVFVPA-UHFFFAOYSA-N	0	0	164.292	3.616	40	30		AHEBRN